Geometry & MOs

Info

ID:	325740
PubChem CID:	126684723
Reduced:	NO7C31H43 (1)
Stoich.:	AB7C31D43 (1)
Weight, g/mol:	272.011885
ΔH_f, kcal/mol:	-304.81
Dipole, Da:	8.87
IP(EA), eV:	-8.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(trifluoromethyl)phenoxy]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)C(C)CC2=CC(=CC=C2)OCCC(C)(C)C)O

DOS

IR

Vibrations